Re: a csd alternative

On 18 May, Rajarshi Guha wrote:
> Will these be 2D structure diagrams? Or ray traced 3D images? If the  
> former what is the need to store these? They could be easily  
> generated on the fly (either by local software or by web services  
> such as  http://rguha.ath.cx:8080/cdkws/services/StructureDiagram? 
> wsdl). If the latter, what is the utility of static 3D images (apart  
> from the eye-candy aspect)

Quick access in the browser window is the answer, accessible to anyone
without special configuration.  I haven't decided on line v. rendered
diagrams.  Maybe both.

> You can get 3D coordinates for most of PubChem from http:// 
> www.chembiogrid.org/cheminfo/p3d - depending on the mode of access  
> (such as bulk downloads) you can get access to the underlying  
> database if needed.

Thanks for the suggestions!

Regards,
Michael L. Love

> -------------------------------------------------------------------
> Rajarshi Guha  <rguha-GZvvpLG7cYSVc3sceRu5cw@xxxxxxxxxxxxxxxx>
> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04  06F7 1BB9 E634 9B87 56EE
> -------------------------------------------------------------------
> A sine curve goes off to infinity, or at least the end
> of the blackboard.
>       -- Prof. Steiner
> 

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